SCHEMBL4383428

SCHEMBL4383428

COC(CCC#N)(OC)OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 2/20 0.33
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26618847 0.76 MEN1 (0.38) MEN1KMT2AALDH1A1TDP1CASP1
SCHEMBL13617559 0.76
SCHEMBL9253799 0.74 CASP1 (0.37) MEN1KMT2AALDH1A1TDP1CASP1
SCHEMBL15134523 0.74 MEN1 (0.36) MEN1KMT2AALDH1A1TDP1CASP1
SCHEMBL4756149 0.74 MEN1 (0.45) MEN1KMT2AALDH1A1TDP1CASP1
SCHEMBL2498368 0.74 MEN1 (0.36) MEN1KMT2AALDH1A1TDP1CASP1
SCHEMBL30140506 0.71 ALDH1A1 (0.36) ALDH1A1TDP1TSHR
SCHEMBL2223922 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL24720928 0.70 ALDH1A1 (0.35) MEN1KMT2AALDH1A1TDP1
SCHEMBL26622353 0.69 CYP3A4 (0.35) MEN1KMT2ACASP1HSD17B10TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein PFIZER INC. 2009-12-03 US disclosed
EP-2017259-A2 Preparation of gamma-amino acids having affinity for the alpha-2-delta protein Pfizer Products Inc. (US) 2009-01-21 EP disclosed
CN-101341117-A Preparation of Y-amino acids having affinity for the alpha-2-delta protein PFIZER (US) 2009-01-07 CN disclosed
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090299093-A1 Preparation of Gamma-Amino Acids Having Affinity for The Alpha-2-Delta Protein SCN2A, CACNG2, SCN1A MEN1 2756/4885KMT2A 3394/4885ALDH1A1 2226/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.